phenyl (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: phenyl (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: phenyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid phenyl ester IUPAC Name: phenyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid phenyl ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3/c1-12(2)16(18(22)23-15-6-4-3-5-7-15)20-17(21)13-8-10-14(19)11-9-13/h3-12,16H,1-2H3,(H,20,21)/t16-/m0/s1